COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK218965
Chemical Name: 2-({5-[(2-ethoxy-4-methylphenoxy)methyl]-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl}sulfanyl)-1-phenylethanone
Smiles: CCOc1cc(C)ccc1OCc1nnc(n1CC=C)SCC(=O)c1ccccc1

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Molecular Weight: 423.54
Empirical Formula: C23H25N3O3S

Physical State: Dry powder
Available Amount: 120 mg

Lipinsky:
logP: 5.436
Rotatable bonds: 10
H-donors: 0
H-acceptors: 3
PSA: 91
Number of rings: 3

     

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